methyl 4-chloro-8-methyl-1-[(2S)-2-phenylmethoxycyclopentyl]-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate

C24H23ClN4O3 — CID 89475544

IUPACmethyl 4-chloro-8-methyl-1-[(2S)-2-phenylmethoxycyclopentyl]-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate
SMILESCOC(=O)c1cc2nc(Cl)c3nnc(C4CCC[C@@H]4OCc4ccccc4)n3c2cc1C
InChIInChI=1S/C24H23ClN4O3/c1-14-11-19-18(12-17(14)24(30)31-2)26-21(25)23-28-27-22(29(19)23)16-9-6-10-20(16)32-13-15-7-4-3-5-8-15/h3-5,7-8,11-12,16,20H,6,9-10,13H2,1-2H3/t16?,20-/m0/s1
InChIKeyRRRKGOJBFUIJGP-FZCLLLDFSA-N
MW450.93 g/mol
LogP4.88
Rot. Bonds5

About methyl 4-chloro-8-methyl-1-[(2S)-2-phenylmethoxycyclopentyl]-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate

methyl 4-chloro-8-methyl-1-[(2S)-2-phenylmethoxycyclopentyl]-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate (PubChem CID 89475544) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is methyl 4-chloro-8-methyl-1-[(2S)-2-phenylmethoxycyclopentyl]-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-8-methyl-1-[(2S)-2-phenylmethoxycyclopentyl]-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate
PubChem CID89475544
Molecular FormulaC24H23ClN4O3
Molecular Weight450.93 g/mol
Exact Mass450.15
IUPAC Namemethyl 4-chloro-8-methyl-1-[(2S)-2-phenylmethoxycyclopentyl]-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate
SMILESCOC(=O)c1cc2nc(Cl)c3nnc(C4CCC[C@@H]4OCc4ccccc4)n3c2cc1C
InChIInChI=1S/C24H23ClN4O3/c1-14-11-19-18(12-17(14)24(30)31-2)26-21(25)23-28-27-22(29(19)23)16-9-6-10-20(16)32-13-15-7-4-3-5-8-15/h3-5,7-8,11-12,16,20H,6,9-10,13H2,1-2H3/t16?,20-/m0/s1
InChIKeyRRRKGOJBFUIJGP-FZCLLLDFSA-N
XLogP4.88
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-chloro-8-methyl-1-[(2S)-2-phenylmethoxycyclopentyl]-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-chloro-7-methyl-2-methylimino-1-[1-[(1S,2S)-2-phenylmethoxycyclopentyl]ethenyl]quinoxaline-6-carboxylate
CID 70222738
7-(1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-[(1S,2S)-2-phenylmethoxycyclopentyl]-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 58574982
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
2-(2-phenylmethoxycyclopentyl)acetic acid
CID 115040131
methyl 2-(4-phenylmethoxypiperidin-1-yl)sulfonylbenzoate
CID 51278510
ethyl 2-methyl-3-phenylmethoxypyrrolidine-1-carboxylate
CID 141321691
methyl 2-(4-phenylmethoxypiperidin-1-yl)benzoate
CID 139942928
methyl 2-[(1-benzyl-6-methylindol-5-yl)methyl]-5-cyclopropylpyridine-3-carboxylate
CID 159890108
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
[(2S,3S)-1-benzyl-3-phenylmethoxypiperidin-2-yl]methanol
CID 122383761
methyl 6-methyl-2-pyridin-2-yl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-7-carboxylate
CID 19846127
trans-dimethyl (4S,5S)-4,5-bis(phenylmethoxy)cyclohexane-1,2-dicarboxylate
CID 11004179

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-8-methyl-1-[(2S)-2-phenylmethoxycyclopentyl]-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate?
The IUPAC name of methyl 4-chloro-8-methyl-1-[(2S)-2-phenylmethoxycyclopentyl]-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate (CID 89475544) is methyl 4-chloro-8-methyl-1-[(2S)-2-phenylmethoxycyclopentyl]-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate.
What is the SMILES notation for methyl 4-chloro-8-methyl-1-[(2S)-2-phenylmethoxycyclopentyl]-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate?
The canonical SMILES for methyl 4-chloro-8-methyl-1-[(2S)-2-phenylmethoxycyclopentyl]-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate is COC(=O)c1cc2nc(Cl)c3nnc(C4CCC[C@@H]4OCc4ccccc4)n3c2cc1C.
What is the InChIKey of methyl 4-chloro-8-methyl-1-[(2S)-2-phenylmethoxycyclopentyl]-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate?
The InChIKey is RRRKGOJBFUIJGP-FZCLLLDFSA-N. The full InChI is InChI=1S/C24H23ClN4O3/c1-14-11-19-18(12-17(14)24(30)31-2)26-21(25)23-28-27-22(29(19)23)16-9-6-10-20(16)32-13-15-7-4-3-5-8-15/h3-5,7-8,11-12,16,20H,6,9-10,13H2,1-2H3/t16?,20-/m0/s1.
What are the key properties of methyl 4-chloro-8-methyl-1-[(2S)-2-phenylmethoxycyclopentyl]-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate?
methyl 4-chloro-8-methyl-1-[(2S)-2-phenylmethoxycyclopentyl]-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate has a molecular weight of 450.93 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-8-methyl-1-[(2S)-2-phenylmethoxycyclopentyl]-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylate is sourced from PubChem (CID 89475544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).